Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : TOK

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 61


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C1 C C1 N N N 0 -3.993 1.571 -0.735
2 C2 C C2 N N N 0 -5.344 1.872 -0.084
3 C3 C C3 S N N 0 -6.21 0.61 -0.087
4 O3 O O3 N N N 0 -7.501 0.918 0.441
5 C4 C C4 N N N 0 -5.547 -0.465 0.779
6 C8 C C8 R N N 0 -1.394 -1.163 -0.053
7 C5 C C5 N N N 0 -4.132 -0.686 0.27
8 C6 C C6 N N N 0 -3.753 -1.905 0.016
9 C7 C C7 N N N 0 -2.384 -2.245 -0.497
10 C9 C C9 S N N 0 -1.915 0.194 -0.55
11 C10 C C10 R N N 0 -3.253 0.516 0.093
12 C11 C C11 N N N 0 -0.928 1.326 -0.282
13 C12 C C12 N N N 0 0.477 1.008 -0.821
14 C13 C C13 S N N 0 0.904 -0.293 -0.182
15 C14 C C14 S N N 0 -0.051 -1.4 -0.718
16 C15 C C15 N N N 0 0.746 -2.621 -0.239
17 C16 C C16 N N N 0 2.185 -2.175 -0.501
18 C17 C C17 N N N 0 2.257 -0.843 -0.484
19 C18 C C18 N N N 0 0.728 -0.192 1.334
20 C19 C C19 N N N 0 -2.972 1.109 1.475
21 N48 N N48 N Y N 0 3.408 -0.09 -0.711
22 C49 C C49 N Y N 0 4.463 0.082 0.167
23 C50 C C50 N Y N 0 5.385 0.913 -0.492
24 N51 N N51 N Y N 0 4.859 1.202 -1.71
25 C52 C C52 N Y N 0 3.706 0.611 -1.842
26 C53 C C53 N Y N 0 4.739 -0.377 1.447
27 C54 C C54 N Y N 0 5.916 -0.012 2.065
28 C55 C C55 N Y N 0 6.826 0.81 1.414
29 C56 C C56 N Y N 0 6.572 1.27 0.153
30 H1 H H1 N N N 0 -4.152 1.194 -1.745
31 H1A H H1A N N N 0 -3.398 2.483 -0.777
32 H2 H H2 N N N 0 -5.187 2.201 0.943
33 H2A H H2A N N N 0 -5.85 2.659 -0.644
34 H3 H H3 N N N 0 -6.312 0.243 -1.108
35 HO3 H HO3 N N N 0 -8.105 0.162 0.469
36 H4 H H4 N N N 0 -5.515 -0.133 1.817
37 H4A H H4A N N N 0 -6.112 -1.394 0.707
38 H6 H H6 N N N 0 -4.455 -2.708 0.184
39 H7 H H7 N N N 0 -2.074 -3.209 -0.094
40 H7A H H7A N N N 0 -2.406 -2.295 -1.586
41 H8 H H8 N N N 0 -1.286 -1.17 1.031
42 H9 H H9 N N N 0 -2.073 0.126 -1.627
43 H11 H H11 N N N 0 -1.294 2.235 -0.761
44 H11A H H11A N N N 0 -0.866 1.494 0.793
45 H12 H H12 N N N 0 0.444 0.897 -1.905
46 H12A H H12A N N N 0 1.17 1.804 -0.549
47 H14 H H14 N N N 0 -0.137 -1.366 -1.804
48 H15 H H15 N N N 0 0.581 -2.803 0.823
49 H16 H H16 N N N 0 3.018 -2.84 -0.675
50 H18 H H18 N N N 0 -0.298 0.099 1.562
51 H18A H H18A N N N 0 0.94 -1.159 1.79
52 H18B H H18B N N N 0 1.414 0.555 1.731
53 H19 H H19 N N N 0 -2.352 0.418 2.047
54 H19A H H19A N N N 0 -2.449 2.059 1.364
55 H19B H H19B N N N 0 -3.914 1.271 1.999
56 H52 H H52 N N N 0 3.077 0.67 -2.717
57 H53 H H53 N N N 0 4.034 -1.016 1.958
58 H54 H H54 N N N 0 6.132 -0.367 3.062
59 H55 H H55 N N N 0 7.745 1.088 1.91
60 H56 H H56 N N N 0 7.287 1.909 -0.344
61 H15A H H15A N N N 0 0.498 -3.505 -0.827